methyl 1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-3-carboxylate

C12H15N3O4 — CID 78919715

IUPACmethyl 1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)c2ccc(=O)[nH]n2)C1
InChIInChI=1S/C12H15N3O4/c1-19-12(18)8-3-2-6-15(7-8)11(17)9-4-5-10(16)14-13-9/h4-5,8H,2-3,6-7H2,1H3,(H,14,16)
InChIKeyXFKJBVSCUDVVPC-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.20
Rot. Bonds2

About methyl 1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-3-carboxylate

methyl 1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-3-carboxylate (PubChem CID 78919715) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is methyl 1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-3-carboxylate
PubChem CID78919715
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Namemethyl 1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)c2ccc(=O)[nH]n2)C1
InChIInChI=1S/C12H15N3O4/c1-19-12(18)8-3-2-6-15(7-8)11(17)9-4-5-10(16)14-13-9/h4-5,8H,2-3,6-7H2,1H3,(H,14,16)
InChIKeyXFKJBVSCUDVVPC-UHFFFAOYSA-N
XLogP-0.20
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 103805714
methyl (3S)-1-(5-chloropyridine-2-carbonyl)piperidine-3-carboxylate
CID 78994553
3-[3-(prop-2-ynoxymethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 90505304
methyl 1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperidine-3-carboxylate
CID 114009916
3-[3-(aminomethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 103805953
3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 38390180
methyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate
CID 78919443
methyl (3S)-1-(1H-indazole-3-carbonyl)piperidine-3-carboxylate
CID 78918912
3-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-3-yl]butanoic acid
CID 81043427
methyl 1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate
CID 78919150
3-(3,5-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 5227998
methyl (3S)-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylate
CID 78919789

Frequently Asked Questions

What is the IUPAC name of methyl 1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-3-carboxylate (CID 78919715) is methyl 1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-3-carboxylate is COC(=O)C1CCCN(C(=O)c2ccc(=O)[nH]n2)C1.
What is the InChIKey of methyl 1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-3-carboxylate?
The InChIKey is XFKJBVSCUDVVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-19-12(18)8-3-2-6-15(7-8)11(17)9-4-5-10(16)14-13-9/h4-5,8H,2-3,6-7H2,1H3,(H,14,16).
What are the key properties of methyl 1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-3-carboxylate?
methyl 1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-3-carboxylate has a molecular weight of 265.27 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 78919715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).